2-cyclohexyl-N-[[2-(2,2-difluoropropoxy)-5-ethyl-1,3-thiazol-4-yl]methyl]-N-ethylethanamine

C19H32F2N2OS — CID 170238945

IUPAC2-cyclohexyl-N-[[2-(2,2-difluoropropoxy)-5-ethyl-1,3-thiazol-4-yl]methyl]-N-ethylethanamine
SMILESCCc1sc(OCC(C)(F)F)nc1CN(CC)CCC1CCCCC1
InChIInChI=1S/C19H32F2N2OS/c1-4-17-16(22-18(25-17)24-14-19(3,20)21)13-23(5-2)12-11-15-9-7-6-8-10-15/h15H,4-14H2,1-3H3
InChIKeyXFVHPWFKMAXQOE-UHFFFAOYSA-N
MW374.54 g/mol
LogP5.53
Rot. Bonds10

About 2-cyclohexyl-N-[[2-(2,2-difluoropropoxy)-5-ethyl-1,3-thiazol-4-yl]methyl]-N-ethylethanamine

2-cyclohexyl-N-[[2-(2,2-difluoropropoxy)-5-ethyl-1,3-thiazol-4-yl]methyl]-N-ethylethanamine (PubChem CID 170238945) has the molecular formula C19H32F2N2OS and a molecular weight of 374.54 g/mol. Its IUPAC name is 2-cyclohexyl-N-[[2-(2,2-difluoropropoxy)-5-ethyl-1,3-thiazol-4-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-[[2-(2,2-difluoropropoxy)-5-ethyl-1,3-thiazol-4-yl]methyl]-N-ethylethanamine
PubChem CID170238945
Molecular FormulaC19H32F2N2OS
Molecular Weight374.54 g/mol
Exact Mass374.22
IUPAC Name2-cyclohexyl-N-[[2-(2,2-difluoropropoxy)-5-ethyl-1,3-thiazol-4-yl]methyl]-N-ethylethanamine
SMILESCCc1sc(OCC(C)(F)F)nc1CN(CC)CCC1CCCCC1
InChIInChI=1S/C19H32F2N2OS/c1-4-17-16(22-18(25-17)24-14-19(3,20)21)13-23(5-2)12-11-15-9-7-6-8-10-15/h15H,4-14H2,1-3H3
InChIKeyXFVHPWFKMAXQOE-UHFFFAOYSA-N
XLogP5.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.54
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[[2-(2,2-difluoropropoxy)-5-ethyl-1,3-thiazol-4-yl]methyl]-N-ethylethanamine?
The IUPAC name of 2-cyclohexyl-N-[[2-(2,2-difluoropropoxy)-5-ethyl-1,3-thiazol-4-yl]methyl]-N-ethylethanamine (CID 170238945) is 2-cyclohexyl-N-[[2-(2,2-difluoropropoxy)-5-ethyl-1,3-thiazol-4-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for 2-cyclohexyl-N-[[2-(2,2-difluoropropoxy)-5-ethyl-1,3-thiazol-4-yl]methyl]-N-ethylethanamine?
The canonical SMILES for 2-cyclohexyl-N-[[2-(2,2-difluoropropoxy)-5-ethyl-1,3-thiazol-4-yl]methyl]-N-ethylethanamine is CCc1sc(OCC(C)(F)F)nc1CN(CC)CCC1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-[[2-(2,2-difluoropropoxy)-5-ethyl-1,3-thiazol-4-yl]methyl]-N-ethylethanamine?
The InChIKey is XFVHPWFKMAXQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F2N2OS/c1-4-17-16(22-18(25-17)24-14-19(3,20)21)13-23(5-2)12-11-15-9-7-6-8-10-15/h15H,4-14H2,1-3H3.
What are the key properties of 2-cyclohexyl-N-[[2-(2,2-difluoropropoxy)-5-ethyl-1,3-thiazol-4-yl]methyl]-N-ethylethanamine?
2-cyclohexyl-N-[[2-(2,2-difluoropropoxy)-5-ethyl-1,3-thiazol-4-yl]methyl]-N-ethylethanamine has a molecular weight of 374.54 g/mol, XLogP of 5.53, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[[2-(2,2-difluoropropoxy)-5-ethyl-1,3-thiazol-4-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 170238945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).